USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 290 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 CYS N :NH3+ -150:sc= 0.426 (180deg=0.0804) USER MOD Single : A 3 SER OG : rot 180:sc= -0.748 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -1.03 K(o=-1,f=-1.6) USER MOD Single : A 10 ASN : amide:sc= -0.248 K(o=-0.25,f=-13!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -42:sc= 0.834 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.9) USER MOD Single : A 24 LYS NZ :NH3+ -152:sc= -0.0596 (180deg=-0.496) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.85 K(o=-0.85,f=-4.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.640 -0.107 0.949 1.00 64.45 N ATOM 2 CA CYS A 1 2.151 -0.207 -0.413 1.00 51.24 C ATOM 3 C CYS A 1 3.377 -1.113 -0.470 1.00 23.23 C ATOM 4 O CYS A 1 4.026 -1.361 0.546 1.00 11.13 O ATOM 5 CB CYS A 1 2.504 1.181 -0.951 1.00 1.54 C ATOM 6 SG CYS A 1 3.574 2.157 0.155 1.00 22.42 S ATOM 0 H1 CYS A 1 0.612 0.047 0.924 1.00 64.45 H new ATOM 0 H2 CYS A 1 1.845 -0.988 1.462 1.00 64.45 H new ATOM 0 H3 CYS A 1 2.098 0.691 1.434 1.00 64.45 H new ATOM 0 HA CYS A 1 1.370 -0.643 -1.036 1.00 51.24 H new ATOM 0 HB2 CYS A 1 3.001 1.070 -1.915 1.00 1.54 H new ATOM 0 HB3 CYS A 1 1.582 1.735 -1.130 1.00 1.54 H new ATOM 11 N ALA A 2 3.689 -1.604 -1.665 1.00 33.53 N ATOM 12 CA ALA A 2 4.838 -2.481 -1.854 1.00 52.05 C ATOM 13 C ALA A 2 6.137 -1.683 -1.887 1.00 21.53 C ATOM 14 O ALA A 2 6.186 -0.579 -2.429 1.00 33.42 O ATOM 15 CB ALA A 2 4.680 -3.288 -3.134 1.00 71.44 C ATOM 0 H ALA A 2 3.162 -1.409 -2.516 1.00 33.53 H new ATOM 0 HA ALA A 2 4.884 -3.167 -1.008 1.00 52.05 H new ATOM 0 HB1 ALA A 2 5.545 -3.939 -3.263 1.00 71.44 H new ATOM 0 HB2 ALA A 2 3.776 -3.894 -3.073 1.00 71.44 H new ATOM 0 HB3 ALA A 2 4.606 -2.610 -3.985 1.00 71.44 H new ATOM 21 N SER A 3 7.188 -2.250 -1.302 1.00 42.52 N ATOM 22 CA SER A 3 8.487 -1.589 -1.260 1.00 44.22 C ATOM 23 C SER A 3 9.370 -2.052 -2.415 1.00 40.02 C ATOM 24 O SER A 3 8.970 -2.895 -3.219 1.00 2.22 O ATOM 25 CB SER A 3 9.183 -1.870 0.073 1.00 43.11 C ATOM 26 OG SER A 3 8.788 -3.125 0.600 1.00 45.33 O ATOM 0 H SER A 3 7.165 -3.165 -0.851 1.00 42.52 H new ATOM 0 HA SER A 3 8.324 -0.516 -1.358 1.00 44.22 H new ATOM 0 HB2 SER A 3 10.264 -1.855 -0.067 1.00 43.11 H new ATOM 0 HB3 SER A 3 8.943 -1.081 0.786 1.00 43.11 H new ATOM 0 HG SER A 3 9.248 -3.282 1.451 1.00 45.33 H new ATOM 32 N LYS A 4 10.574 -1.495 -2.492 1.00 12.31 N ATOM 33 CA LYS A 4 11.516 -1.850 -3.547 1.00 11.43 C ATOM 34 C LYS A 4 11.854 -3.336 -3.497 1.00 74.20 C ATOM 35 O LYS A 4 11.965 -3.921 -2.421 1.00 22.14 O ATOM 36 CB LYS A 4 12.796 -1.020 -3.416 1.00 35.40 C ATOM 37 CG LYS A 4 13.373 -1.010 -2.011 1.00 70.41 C ATOM 38 CD LYS A 4 14.868 -0.738 -2.025 1.00 13.24 C ATOM 39 CE LYS A 4 15.311 -0.001 -0.770 1.00 22.21 C ATOM 40 NZ LYS A 4 15.325 1.475 -0.969 1.00 33.43 N ATOM 0 H LYS A 4 10.921 -0.795 -1.836 1.00 12.31 H new ATOM 0 HA LYS A 4 11.047 -1.634 -4.507 1.00 11.43 H new ATOM 0 HB2 LYS A 4 13.545 -1.411 -4.105 1.00 35.40 H new ATOM 0 HB3 LYS A 4 12.587 0.005 -3.721 1.00 35.40 H new ATOM 0 HG2 LYS A 4 12.869 -0.249 -1.415 1.00 70.41 H new ATOM 0 HG3 LYS A 4 13.181 -1.970 -1.531 1.00 70.41 H new ATOM 0 HD2 LYS A 4 15.410 -1.680 -2.105 1.00 13.24 H new ATOM 0 HD3 LYS A 4 15.123 -0.147 -2.905 1.00 13.24 H new ATOM 0 HE2 LYS A 4 14.641 -0.250 0.053 1.00 22.21 H new ATOM 0 HE3 LYS A 4 16.307 -0.338 -0.483 1.00 22.21 H new ATOM 0 HZ1 LYS A 4 15.632 1.941 -0.091 1.00 33.43 H new ATOM 0 HZ2 LYS A 4 15.983 1.715 -1.737 1.00 33.43 H new ATOM 0 HZ3 LYS A 4 14.369 1.801 -1.218 1.00 33.43 H new ATOM 54 N ASN A 5 12.016 -3.941 -4.669 1.00 44.14 N ATOM 55 CA ASN A 5 12.343 -5.360 -4.759 1.00 15.42 C ATOM 56 C ASN A 5 11.120 -6.219 -4.450 1.00 65.21 C ATOM 57 O ASN A 5 11.210 -7.445 -4.398 1.00 33.32 O ATOM 58 CB ASN A 5 13.479 -5.705 -3.795 1.00 4.42 C ATOM 59 CG ASN A 5 14.524 -4.608 -3.716 1.00 52.13 C ATOM 60 OD1 ASN A 5 14.795 -3.922 -4.702 1.00 13.31 O ATOM 61 ND2 ASN A 5 15.116 -4.438 -2.540 1.00 21.21 N ATOM 0 H ASN A 5 11.926 -3.471 -5.570 1.00 44.14 H new ATOM 0 HA ASN A 5 12.665 -5.570 -5.779 1.00 15.42 H new ATOM 0 HB2 ASN A 5 13.067 -5.883 -2.802 1.00 4.42 H new ATOM 0 HB3 ASN A 5 13.954 -6.633 -4.114 1.00 4.42 H new ATOM 0 HD21 ASN A 5 15.827 -3.715 -2.427 1.00 21.21 H new ATOM 0 HD22 ASN A 5 14.860 -5.030 -1.750 1.00 21.21 H new ATOM 68 N GLU A 6 9.980 -5.566 -4.247 1.00 63.32 N ATOM 69 CA GLU A 6 8.741 -6.272 -3.944 1.00 13.54 C ATOM 70 C GLU A 6 7.845 -6.354 -5.177 1.00 4.43 C ATOM 71 O GLU A 6 7.785 -5.419 -5.976 1.00 34.11 O ATOM 72 CB GLU A 6 7.996 -5.572 -2.805 1.00 32.13 C ATOM 73 CG GLU A 6 8.865 -5.293 -1.590 1.00 32.32 C ATOM 74 CD GLU A 6 8.408 -6.052 -0.359 1.00 70.42 C ATOM 75 OE1 GLU A 6 7.372 -5.668 0.224 1.00 64.14 O ATOM 76 OE2 GLU A 6 9.085 -7.030 0.021 1.00 5.12 O ATOM 0 H GLU A 6 9.889 -4.551 -4.287 1.00 63.32 H new ATOM 0 HA GLU A 6 8.997 -7.285 -3.634 1.00 13.54 H new ATOM 0 HB2 GLU A 6 7.588 -4.631 -3.173 1.00 32.13 H new ATOM 0 HB3 GLU A 6 7.150 -6.189 -2.502 1.00 32.13 H new ATOM 0 HG2 GLU A 6 9.897 -5.563 -1.816 1.00 32.32 H new ATOM 0 HG3 GLU A 6 8.854 -4.224 -1.378 1.00 32.32 H new ATOM 83 N ARG A 7 7.153 -7.478 -5.324 1.00 71.30 N ATOM 84 CA ARG A 7 6.262 -7.684 -6.460 1.00 3.11 C ATOM 85 C ARG A 7 5.046 -6.767 -6.370 1.00 41.32 C ATOM 86 O ARG A 7 4.398 -6.677 -5.327 1.00 3.01 O ATOM 87 CB ARG A 7 5.810 -9.144 -6.523 1.00 11.14 C ATOM 88 CG ARG A 7 5.020 -9.590 -5.303 1.00 54.42 C ATOM 89 CD ARG A 7 5.622 -10.836 -4.674 1.00 72.33 C ATOM 90 NE ARG A 7 5.236 -12.050 -5.388 1.00 61.45 N ATOM 91 CZ ARG A 7 4.026 -12.593 -5.315 1.00 71.20 C ATOM 92 NH1 ARG A 7 3.089 -12.032 -4.564 1.00 34.35 N ATOM 93 NH2 ARG A 7 3.751 -13.699 -5.995 1.00 21.23 N ATOM 0 H ARG A 7 7.192 -8.261 -4.671 1.00 71.30 H new ATOM 0 HA ARG A 7 6.812 -7.442 -7.370 1.00 3.11 H new ATOM 0 HB2 ARG A 7 5.199 -9.288 -7.414 1.00 11.14 H new ATOM 0 HB3 ARG A 7 6.687 -9.783 -6.631 1.00 11.14 H new ATOM 0 HG2 ARG A 7 4.998 -8.785 -4.569 1.00 54.42 H new ATOM 0 HG3 ARG A 7 3.987 -9.789 -5.590 1.00 54.42 H new ATOM 0 HD2 ARG A 7 6.709 -10.750 -4.667 1.00 72.33 H new ATOM 0 HD3 ARG A 7 5.301 -10.909 -3.635 1.00 72.33 H new ATOM 0 HE ARG A 7 5.934 -12.506 -5.975 1.00 61.45 H new ATOM 0 HH11 ARG A 7 3.296 -11.181 -4.041 1.00 34.35 H new ATOM 0 HH12 ARG A 7 2.161 -12.451 -4.510 1.00 34.35 H new ATOM 0 HH21 ARG A 7 4.469 -14.133 -6.575 1.00 21.23 H new ATOM 0 HH22 ARG A 7 2.821 -14.115 -5.938 1.00 21.23 H new ATOM 107 N CYS A 8 4.742 -6.087 -7.471 1.00 11.24 N ATOM 108 CA CYS A 8 3.605 -5.176 -7.517 1.00 51.43 C ATOM 109 C CYS A 8 2.606 -5.606 -8.588 1.00 22.44 C ATOM 110 O CYS A 8 2.806 -6.610 -9.270 1.00 32.41 O ATOM 111 CB CYS A 8 4.080 -3.748 -7.793 1.00 10.43 C ATOM 112 SG CYS A 8 4.945 -3.545 -9.383 1.00 74.44 S ATOM 0 H CYS A 8 5.267 -6.150 -8.343 1.00 11.24 H new ATOM 0 HA CYS A 8 3.108 -5.206 -6.547 1.00 51.43 H new ATOM 0 HB2 CYS A 8 3.219 -3.080 -7.772 1.00 10.43 H new ATOM 0 HB3 CYS A 8 4.745 -3.436 -6.988 1.00 10.43 H new ATOM 117 N GLY A 9 1.530 -4.838 -8.728 1.00 72.54 N ATOM 118 CA GLY A 9 0.516 -5.156 -9.717 1.00 30.41 C ATOM 119 C GLY A 9 0.409 -4.100 -10.799 1.00 4.24 C ATOM 120 O GLY A 9 0.875 -2.975 -10.624 1.00 40.42 O ATOM 0 H GLY A 9 1.342 -4.002 -8.175 1.00 72.54 H new ATOM 0 HA2 GLY A 9 0.748 -6.118 -10.174 1.00 30.41 H new ATOM 0 HA3 GLY A 9 -0.449 -5.263 -9.222 1.00 30.41 H new ATOM 124 N ASN A 10 -0.204 -4.463 -11.920 1.00 72.12 N ATOM 125 CA ASN A 10 -0.368 -3.538 -13.036 1.00 33.12 C ATOM 126 C ASN A 10 -1.507 -3.983 -13.948 1.00 53.12 C ATOM 127 O ASN A 10 -1.433 -5.034 -14.584 1.00 5.11 O ATOM 128 CB ASN A 10 0.932 -3.436 -13.836 1.00 75.55 C ATOM 129 CG ASN A 10 0.897 -2.313 -14.855 1.00 31.41 C ATOM 130 OD1 ASN A 10 -0.167 -1.946 -15.354 1.00 43.12 O ATOM 131 ND2 ASN A 10 2.064 -1.763 -15.168 1.00 11.41 N ATOM 0 H ASN A 10 -0.596 -5.391 -12.080 1.00 72.12 H new ATOM 0 HA ASN A 10 -0.614 -2.557 -12.630 1.00 33.12 H new ATOM 0 HB2 ASN A 10 1.765 -3.276 -13.152 1.00 75.55 H new ATOM 0 HB3 ASN A 10 1.116 -4.381 -14.347 1.00 75.55 H new ATOM 0 HD21 ASN A 10 2.104 -1.003 -15.848 1.00 11.41 H new ATOM 0 HD22 ASN A 10 2.921 -2.100 -14.729 1.00 11.41 H new ATOM 138 N ALA A 11 -2.561 -3.175 -14.007 1.00 43.24 N ATOM 139 CA ALA A 11 -3.714 -3.483 -14.844 1.00 30.24 C ATOM 140 C ALA A 11 -3.311 -3.611 -16.309 1.00 14.11 C ATOM 141 O ALA A 11 -3.856 -4.436 -17.043 1.00 71.05 O ATOM 142 CB ALA A 11 -4.785 -2.415 -14.680 1.00 34.32 C ATOM 0 H ALA A 11 -2.640 -2.302 -13.485 1.00 43.24 H new ATOM 0 HA ALA A 11 -4.120 -4.442 -14.522 1.00 30.24 H new ATOM 0 HB1 ALA A 11 -5.640 -2.658 -15.311 1.00 34.32 H new ATOM 0 HB2 ALA A 11 -5.102 -2.375 -13.638 1.00 34.32 H new ATOM 0 HB3 ALA A 11 -4.381 -1.446 -14.974 1.00 34.32 H new ATOM 148 N LEU A 12 -2.356 -2.789 -16.728 1.00 65.45 N ATOM 149 CA LEU A 12 -1.880 -2.810 -18.107 1.00 40.15 C ATOM 150 C LEU A 12 -1.303 -4.176 -18.464 1.00 45.00 C ATOM 151 O LEU A 12 -1.194 -4.528 -19.639 1.00 1.21 O ATOM 152 CB LEU A 12 -0.822 -1.725 -18.319 1.00 72.41 C ATOM 153 CG LEU A 12 -1.218 -0.310 -17.897 1.00 72.12 C ATOM 154 CD1 LEU A 12 -0.097 0.671 -18.203 1.00 15.41 C ATOM 155 CD2 LEU A 12 -2.504 0.113 -18.592 1.00 15.24 C ATOM 0 H LEU A 12 -1.896 -2.100 -16.133 1.00 65.45 H new ATOM 0 HA LEU A 12 -2.729 -2.613 -18.761 1.00 40.15 H new ATOM 0 HB2 LEU A 12 0.076 -2.009 -17.770 1.00 72.41 H new ATOM 0 HB3 LEU A 12 -0.556 -1.706 -19.376 1.00 72.41 H new ATOM 0 HG LEU A 12 -1.392 -0.307 -16.821 1.00 72.12 H new ATOM 0 HD11 LEU A 12 -0.397 1.673 -17.896 1.00 15.41 H new ATOM 0 HD12 LEU A 12 0.801 0.378 -17.659 1.00 15.41 H new ATOM 0 HD13 LEU A 12 0.109 0.666 -19.273 1.00 15.41 H new ATOM 0 HD21 LEU A 12 -2.771 1.123 -18.280 1.00 15.24 H new ATOM 0 HD22 LEU A 12 -2.357 0.094 -19.672 1.00 15.24 H new ATOM 0 HD23 LEU A 12 -3.306 -0.574 -18.323 1.00 15.24 H new ATOM 167 N TYR A 13 -0.936 -4.942 -17.443 1.00 22.12 N ATOM 168 CA TYR A 13 -0.369 -6.270 -17.648 1.00 54.12 C ATOM 169 C TYR A 13 -1.332 -7.353 -17.169 1.00 44.35 C ATOM 170 O TYR A 13 -0.931 -8.489 -16.920 1.00 12.12 O ATOM 171 CB TYR A 13 0.966 -6.397 -16.913 1.00 32.11 C ATOM 172 CG TYR A 13 2.157 -5.977 -17.744 1.00 1.32 C ATOM 173 CD1 TYR A 13 2.831 -6.893 -18.542 1.00 31.03 C ATOM 174 CD2 TYR A 13 2.608 -4.662 -17.732 1.00 23.55 C ATOM 175 CE1 TYR A 13 3.920 -6.513 -19.302 1.00 21.44 C ATOM 176 CE2 TYR A 13 3.696 -4.274 -18.489 1.00 52.55 C ATOM 177 CZ TYR A 13 4.349 -5.203 -19.272 1.00 54.44 C ATOM 178 OH TYR A 13 5.432 -4.820 -20.029 1.00 64.12 O ATOM 0 H TYR A 13 -1.021 -4.666 -16.465 1.00 22.12 H new ATOM 0 HA TYR A 13 -0.201 -6.405 -18.717 1.00 54.12 H new ATOM 0 HB2 TYR A 13 0.932 -5.790 -16.009 1.00 32.11 H new ATOM 0 HB3 TYR A 13 1.100 -7.432 -16.597 1.00 32.11 H new ATOM 0 HD1 TYR A 13 2.498 -7.920 -18.569 1.00 31.03 H new ATOM 0 HD2 TYR A 13 2.099 -3.932 -17.120 1.00 23.55 H new ATOM 0 HE1 TYR A 13 4.433 -7.238 -19.916 1.00 21.44 H new ATOM 0 HE2 TYR A 13 4.034 -3.248 -18.468 1.00 52.55 H new ATOM 0 HH TYR A 13 5.603 -3.864 -19.895 1.00 64.12 H new ATOM 188 N GLY A 14 -2.605 -6.991 -17.044 1.00 41.33 N ATOM 189 CA GLY A 14 -3.606 -7.941 -16.597 1.00 22.34 C ATOM 190 C GLY A 14 -3.261 -8.558 -15.256 1.00 21.05 C ATOM 191 O GLY A 14 -3.712 -9.658 -14.934 1.00 52.11 O ATOM 0 H GLY A 14 -2.961 -6.056 -17.244 1.00 41.33 H new ATOM 0 HA2 GLY A 14 -4.572 -7.440 -16.526 1.00 22.34 H new ATOM 0 HA3 GLY A 14 -3.711 -8.731 -17.341 1.00 22.34 H new ATOM 195 N THR A 15 -2.456 -7.849 -14.469 1.00 74.43 N ATOM 196 CA THR A 15 -2.049 -8.335 -13.157 1.00 5.51 C ATOM 197 C THR A 15 -2.589 -7.440 -12.048 1.00 11.35 C ATOM 198 O THR A 15 -2.371 -6.228 -12.051 1.00 2.02 O ATOM 199 CB THR A 15 -0.515 -8.411 -13.038 1.00 3.31 C ATOM 200 OG1 THR A 15 0.036 -7.092 -12.947 1.00 13.12 O ATOM 201 CG2 THR A 15 0.086 -9.135 -14.234 1.00 14.35 C ATOM 0 H THR A 15 -2.074 -6.937 -14.718 1.00 74.43 H new ATOM 0 HA THR A 15 -2.465 -9.336 -13.047 1.00 5.51 H new ATOM 0 HB THR A 15 -0.271 -8.970 -12.134 1.00 3.31 H new ATOM 0 HG1 THR A 15 -0.417 -6.503 -13.587 1.00 13.12 H new ATOM 0 HG21 THR A 15 1.170 -9.176 -14.127 1.00 14.35 H new ATOM 0 HG22 THR A 15 -0.312 -10.148 -14.284 1.00 14.35 H new ATOM 0 HG23 THR A 15 -0.169 -8.600 -15.149 1.00 14.35 H new ATOM 209 N LYS A 16 -3.296 -8.044 -11.098 1.00 5.30 N ATOM 210 CA LYS A 16 -3.866 -7.302 -9.980 1.00 35.32 C ATOM 211 C LYS A 16 -2.982 -7.417 -8.742 1.00 60.44 C ATOM 212 O LYS A 16 -2.809 -8.503 -8.190 1.00 44.02 O ATOM 213 CB LYS A 16 -5.273 -7.818 -9.664 1.00 45.44 C ATOM 214 CG LYS A 16 -5.323 -9.307 -9.371 1.00 1.14 C ATOM 215 CD LYS A 16 -6.299 -10.024 -10.289 1.00 4.23 C ATOM 216 CE LYS A 16 -7.692 -10.084 -9.683 1.00 33.33 C ATOM 217 NZ LYS A 16 -8.750 -10.149 -10.729 1.00 62.42 N ATOM 0 H LYS A 16 -3.488 -9.046 -11.081 1.00 5.30 H new ATOM 0 HA LYS A 16 -3.925 -6.252 -10.266 1.00 35.32 H new ATOM 0 HB2 LYS A 16 -5.666 -7.274 -8.805 1.00 45.44 H new ATOM 0 HB3 LYS A 16 -5.929 -7.600 -10.507 1.00 45.44 H new ATOM 0 HG2 LYS A 16 -4.328 -9.736 -9.490 1.00 1.14 H new ATOM 0 HG3 LYS A 16 -5.616 -9.465 -8.333 1.00 1.14 H new ATOM 0 HD2 LYS A 16 -6.341 -9.511 -11.250 1.00 4.23 H new ATOM 0 HD3 LYS A 16 -5.942 -11.035 -10.483 1.00 4.23 H new ATOM 0 HE2 LYS A 16 -7.769 -10.957 -9.034 1.00 33.33 H new ATOM 0 HE3 LYS A 16 -7.854 -9.206 -9.057 1.00 33.33 H new ATOM 0 HZ1 LYS A 16 -9.685 -10.189 -10.275 1.00 62.42 H new ATOM 0 HZ2 LYS A 16 -8.694 -9.304 -11.333 1.00 62.42 H new ATOM 0 HZ3 LYS A 16 -8.611 -11.000 -11.311 1.00 62.42 H new ATOM 231 N GLY A 17 -2.425 -6.289 -8.311 1.00 75.41 N ATOM 232 CA GLY A 17 -1.567 -6.286 -7.141 1.00 40.10 C ATOM 233 C GLY A 17 -1.372 -4.896 -6.569 1.00 44.34 C ATOM 234 O GLY A 17 -1.930 -3.915 -7.061 1.00 15.10 O ATOM 0 H GLY A 17 -2.553 -5.378 -8.751 1.00 75.41 H new ATOM 0 HA2 GLY A 17 -1.998 -6.933 -6.377 1.00 40.10 H new ATOM 0 HA3 GLY A 17 -0.597 -6.706 -7.405 1.00 40.10 H new ATOM 238 N PRO A 18 -0.562 -4.798 -5.504 1.00 52.13 N ATOM 239 CA PRO A 18 -0.277 -3.522 -4.841 1.00 61.03 C ATOM 240 C PRO A 18 0.582 -2.601 -5.701 1.00 73.04 C ATOM 241 O PRO A 18 0.962 -2.954 -6.817 1.00 3.31 O ATOM 242 CB PRO A 18 0.484 -3.940 -3.581 1.00 2.33 C ATOM 243 CG PRO A 18 1.100 -5.252 -3.927 1.00 15.51 C ATOM 244 CD PRO A 18 0.137 -5.925 -4.866 1.00 24.43 C ATOM 0 HA PRO A 18 -1.186 -2.956 -4.639 1.00 61.03 H new ATOM 0 HB2 PRO A 18 1.243 -3.204 -3.315 1.00 2.33 H new ATOM 0 HB3 PRO A 18 -0.186 -4.031 -2.726 1.00 2.33 H new ATOM 0 HG2 PRO A 18 2.073 -5.114 -4.398 1.00 15.51 H new ATOM 0 HG3 PRO A 18 1.261 -5.856 -3.034 1.00 15.51 H new ATOM 0 HD2 PRO A 18 0.656 -6.543 -5.599 1.00 24.43 H new ATOM 0 HD3 PRO A 18 -0.555 -6.577 -4.333 1.00 24.43 H new ATOM 252 N GLY A 19 0.884 -1.418 -5.174 1.00 61.25 N ATOM 253 CA GLY A 19 1.696 -0.465 -5.908 1.00 23.10 C ATOM 254 C GLY A 19 2.952 -0.072 -5.155 1.00 34.34 C ATOM 255 O GLY A 19 2.962 -0.042 -3.924 1.00 10.34 O ATOM 0 H GLY A 19 0.581 -1.103 -4.252 1.00 61.25 H new ATOM 0 HA2 GLY A 19 1.973 -0.894 -6.871 1.00 23.10 H new ATOM 0 HA3 GLY A 19 1.106 0.428 -6.114 1.00 23.10 H new ATOM 259 N CYS A 20 4.014 0.228 -5.894 1.00 60.31 N ATOM 260 CA CYS A 20 5.282 0.618 -5.289 1.00 53.53 C ATOM 261 C CYS A 20 5.138 1.932 -4.526 1.00 43.34 C ATOM 262 O CYS A 20 4.547 2.891 -5.024 1.00 74.31 O ATOM 263 CB CYS A 20 6.363 0.755 -6.363 1.00 54.04 C ATOM 264 SG CYS A 20 6.608 -0.746 -7.366 1.00 51.24 S ATOM 0 H CYS A 20 4.022 0.209 -6.914 1.00 60.31 H new ATOM 0 HA CYS A 20 5.576 -0.161 -4.585 1.00 53.53 H new ATOM 0 HB2 CYS A 20 6.101 1.582 -7.023 1.00 54.04 H new ATOM 0 HB3 CYS A 20 7.306 1.016 -5.883 1.00 54.04 H new ATOM 269 N CYS A 21 5.684 1.969 -3.315 1.00 42.45 N ATOM 270 CA CYS A 21 5.618 3.164 -2.483 1.00 10.24 C ATOM 271 C CYS A 21 6.276 4.351 -3.181 1.00 12.03 C ATOM 272 O CYS A 21 5.719 5.447 -3.220 1.00 50.24 O ATOM 273 CB CYS A 21 6.297 2.910 -1.135 1.00 41.34 C ATOM 274 SG CYS A 21 5.480 1.639 -0.119 1.00 21.43 S ATOM 0 H CYS A 21 6.177 1.185 -2.888 1.00 42.45 H new ATOM 0 HA CYS A 21 4.568 3.401 -2.315 1.00 10.24 H new ATOM 0 HB2 CYS A 21 7.330 2.610 -1.311 1.00 41.34 H new ATOM 0 HB3 CYS A 21 6.328 3.844 -0.574 1.00 41.34 H new ATOM 279 N ASN A 22 7.464 4.123 -3.730 1.00 63.21 N ATOM 280 CA ASN A 22 8.199 5.173 -4.427 1.00 33.24 C ATOM 281 C ASN A 22 9.161 4.577 -5.450 1.00 33.12 C ATOM 282 O ASN A 22 10.178 3.986 -5.090 1.00 41.13 O ATOM 283 CB ASN A 22 8.971 6.034 -3.425 1.00 51.12 C ATOM 284 CG ASN A 22 8.052 6.817 -2.507 1.00 44.42 C ATOM 285 OD1 ASN A 22 7.231 7.613 -2.964 1.00 23.12 O ATOM 286 ND2 ASN A 22 8.188 6.595 -1.205 1.00 13.10 N ATOM 0 H ASN A 22 7.939 3.221 -3.706 1.00 63.21 H new ATOM 0 HA ASN A 22 7.478 5.798 -4.954 1.00 33.24 H new ATOM 0 HB2 ASN A 22 9.620 5.396 -2.826 1.00 51.12 H new ATOM 0 HB3 ASN A 22 9.616 6.727 -3.966 1.00 51.12 H new ATOM 0 HD21 ASN A 22 7.598 7.093 -0.538 1.00 13.10 H new ATOM 0 HD22 ASN A 22 8.882 5.926 -0.871 1.00 13.10 H new ATOM 293 N GLY A 23 8.831 4.737 -6.728 1.00 12.21 N ATOM 294 CA GLY A 23 9.675 4.210 -7.784 1.00 5.32 C ATOM 295 C GLY A 23 8.905 3.934 -9.059 1.00 53.14 C ATOM 296 O GLY A 23 8.227 4.816 -9.588 1.00 35.44 O ATOM 0 H GLY A 23 7.994 5.222 -7.051 1.00 12.21 H new ATOM 0 HA2 GLY A 23 10.475 4.920 -7.993 1.00 5.32 H new ATOM 0 HA3 GLY A 23 10.147 3.289 -7.442 1.00 5.32 H new ATOM 300 N LYS A 24 9.009 2.707 -9.558 1.00 21.10 N ATOM 301 CA LYS A 24 8.317 2.316 -10.780 1.00 60.32 C ATOM 302 C LYS A 24 8.243 0.797 -10.901 1.00 63.14 C ATOM 303 O LYS A 24 9.158 0.086 -10.485 1.00 62.40 O ATOM 304 CB LYS A 24 9.027 2.902 -12.003 1.00 21.43 C ATOM 305 CG LYS A 24 8.510 4.271 -12.408 1.00 73.25 C ATOM 306 CD LYS A 24 8.800 4.566 -13.871 1.00 32.34 C ATOM 307 CE LYS A 24 9.778 5.720 -14.023 1.00 2.32 C ATOM 308 NZ LYS A 24 9.253 6.976 -13.419 1.00 34.00 N ATOM 0 H LYS A 24 9.567 1.966 -9.134 1.00 21.10 H new ATOM 0 HA LYS A 24 7.301 2.709 -10.734 1.00 60.32 H new ATOM 0 HB2 LYS A 24 10.094 2.973 -11.794 1.00 21.43 H new ATOM 0 HB3 LYS A 24 8.912 2.216 -12.843 1.00 21.43 H new ATOM 0 HG2 LYS A 24 7.436 4.322 -12.232 1.00 73.25 H new ATOM 0 HG3 LYS A 24 8.972 5.035 -11.783 1.00 73.25 H new ATOM 0 HD2 LYS A 24 9.209 3.676 -14.349 1.00 32.34 H new ATOM 0 HD3 LYS A 24 7.870 4.806 -14.386 1.00 32.34 H new ATOM 0 HE2 LYS A 24 10.725 5.458 -13.551 1.00 2.32 H new ATOM 0 HE3 LYS A 24 9.984 5.884 -15.081 1.00 2.32 H new ATOM 0 HZ1 LYS A 24 9.659 7.795 -13.914 1.00 34.00 H new ATOM 0 HZ2 LYS A 24 8.217 6.997 -13.507 1.00 34.00 H new ATOM 0 HZ3 LYS A 24 9.516 7.014 -12.414 1.00 34.00 H new ATOM 322 N CYS A 25 7.150 0.306 -11.475 1.00 51.12 N ATOM 323 CA CYS A 25 6.957 -1.128 -11.653 1.00 31.05 C ATOM 324 C CYS A 25 7.602 -1.608 -12.949 1.00 43.55 C ATOM 325 O CYS A 25 7.507 -0.946 -13.984 1.00 34.12 O ATOM 326 CB CYS A 25 5.465 -1.466 -11.657 1.00 72.22 C ATOM 327 SG CYS A 25 4.740 -1.655 -9.997 1.00 11.34 S ATOM 0 H CYS A 25 6.384 0.881 -11.825 1.00 51.12 H new ATOM 0 HA CYS A 25 7.437 -1.640 -10.819 1.00 31.05 H new ATOM 0 HB2 CYS A 25 4.927 -0.681 -12.189 1.00 72.22 H new ATOM 0 HB3 CYS A 25 5.314 -2.390 -12.215 1.00 72.22 H new ATOM 332 N ILE A 26 8.259 -2.761 -12.886 1.00 12.01 N ATOM 333 CA ILE A 26 8.918 -3.329 -14.055 1.00 25.43 C ATOM 334 C ILE A 26 8.437 -4.751 -14.321 1.00 35.53 C ATOM 335 O ILE A 26 8.852 -5.696 -13.648 1.00 12.40 O ATOM 336 CB ILE A 26 10.449 -3.341 -13.887 1.00 64.11 C ATOM 337 CG1 ILE A 26 10.965 -1.927 -13.613 1.00 1.13 C ATOM 338 CG2 ILE A 26 11.114 -3.922 -15.127 1.00 15.25 C ATOM 339 CD1 ILE A 26 12.467 -1.852 -13.451 1.00 62.33 C ATOM 0 H ILE A 26 8.349 -3.320 -12.038 1.00 12.01 H new ATOM 0 HA ILE A 26 8.658 -2.695 -14.903 1.00 25.43 H new ATOM 0 HB ILE A 26 10.701 -3.971 -13.034 1.00 64.11 H new ATOM 0 HG12 ILE A 26 10.663 -1.274 -14.432 1.00 1.13 H new ATOM 0 HG13 ILE A 26 10.491 -1.545 -12.709 1.00 1.13 H new ATOM 0 HG21 ILE A 26 12.196 -3.924 -14.993 1.00 15.25 H new ATOM 0 HG22 ILE A 26 10.766 -4.943 -15.282 1.00 15.25 H new ATOM 0 HG23 ILE A 26 10.857 -3.316 -15.996 1.00 15.25 H new ATOM 0 HD11 ILE A 26 12.761 -0.820 -13.259 1.00 62.33 H new ATOM 0 HD12 ILE A 26 12.774 -2.479 -12.614 1.00 62.33 H new ATOM 0 HD13 ILE A 26 12.949 -2.203 -14.363 1.00 62.33 H new ATOM 351 N CYS A 27 7.559 -4.898 -15.307 1.00 73.04 N ATOM 352 CA CYS A 27 7.020 -6.205 -15.665 1.00 2.22 C ATOM 353 C CYS A 27 7.748 -6.780 -16.877 1.00 14.13 C ATOM 354 O CYS A 27 8.030 -6.067 -17.840 1.00 22.11 O ATOM 355 CB CYS A 27 5.522 -6.100 -15.958 1.00 3.41 C ATOM 356 SG CYS A 27 4.572 -7.591 -15.520 1.00 65.32 S ATOM 0 H CYS A 27 7.205 -4.127 -15.873 1.00 73.04 H new ATOM 0 HA CYS A 27 7.171 -6.877 -14.820 1.00 2.22 H new ATOM 0 HB2 CYS A 27 5.115 -5.249 -15.412 1.00 3.41 H new ATOM 0 HB3 CYS A 27 5.384 -5.893 -17.019 1.00 3.41 H new ATOM 361 N ARG A 28 8.047 -8.074 -16.821 1.00 4.51 N ATOM 362 CA ARG A 28 8.742 -8.744 -17.913 1.00 24.51 C ATOM 363 C ARG A 28 8.186 -10.149 -18.130 1.00 51.42 C ATOM 364 O ARG A 28 7.871 -10.859 -17.175 1.00 1.24 O ATOM 365 CB ARG A 28 10.242 -8.818 -17.622 1.00 64.20 C ATOM 366 CG ARG A 28 10.830 -7.510 -17.119 1.00 3.10 C ATOM 367 CD ARG A 28 12.221 -7.270 -17.685 1.00 40.24 C ATOM 368 NE ARG A 28 12.464 -5.856 -17.958 1.00 43.13 N ATOM 369 CZ ARG A 28 11.907 -5.196 -18.967 1.00 41.24 C ATOM 370 NH1 ARG A 28 11.079 -5.818 -19.794 1.00 72.54 N ATOM 371 NH2 ARG A 28 12.178 -3.910 -19.150 1.00 52.35 N ATOM 0 H ARG A 28 7.819 -8.678 -16.032 1.00 4.51 H new ATOM 0 HA ARG A 28 8.583 -8.164 -18.822 1.00 24.51 H new ATOM 0 HB2 ARG A 28 10.422 -9.596 -16.880 1.00 64.20 H new ATOM 0 HB3 ARG A 28 10.765 -9.116 -18.530 1.00 64.20 H new ATOM 0 HG2 ARG A 28 10.175 -6.684 -17.398 1.00 3.10 H new ATOM 0 HG3 ARG A 28 10.877 -7.526 -16.030 1.00 3.10 H new ATOM 0 HD2 ARG A 28 12.967 -7.637 -16.980 1.00 40.24 H new ATOM 0 HD3 ARG A 28 12.342 -7.843 -18.604 1.00 40.24 H new ATOM 0 HE ARG A 28 13.096 -5.347 -17.340 1.00 43.13 H new ATOM 0 HH11 ARG A 28 10.868 -6.806 -19.657 1.00 72.54 H new ATOM 0 HH12 ARG A 28 10.653 -5.308 -20.568 1.00 72.54 H new ATOM 0 HH21 ARG A 28 12.815 -3.428 -18.516 1.00 52.35 H new ATOM 0 HH22 ARG A 28 11.750 -3.404 -19.925 1.00 52.35 H new ATOM 385 N THR A 29 8.066 -10.543 -19.394 1.00 65.31 N ATOM 386 CA THR A 29 7.547 -11.861 -19.737 1.00 53.25 C ATOM 387 C THR A 29 8.677 -12.868 -19.918 1.00 12.22 C ATOM 388 O THR A 29 9.620 -12.629 -20.671 1.00 45.14 O ATOM 389 CB THR A 29 6.705 -11.814 -21.027 1.00 23.31 C ATOM 390 OG1 THR A 29 7.172 -10.762 -21.879 1.00 12.04 O ATOM 391 CG2 THR A 29 5.234 -11.599 -20.705 1.00 41.25 C ATOM 0 H THR A 29 8.321 -9.968 -20.197 1.00 65.31 H new ATOM 0 HA THR A 29 6.913 -12.176 -18.908 1.00 53.25 H new ATOM 0 HB THR A 29 6.812 -12.770 -21.540 1.00 23.31 H new ATOM 0 HG1 THR A 29 6.633 -10.740 -22.697 1.00 12.04 H new ATOM 0 HG21 THR A 29 4.659 -11.569 -21.631 1.00 41.25 H new ATOM 0 HG22 THR A 29 4.875 -12.417 -20.081 1.00 41.25 H new ATOM 0 HG23 THR A 29 5.112 -10.656 -20.172 1.00 41.25 H new ATOM 399 N VAL A 30 8.575 -13.996 -19.222 1.00 12.23 N ATOM 400 CA VAL A 30 9.588 -15.041 -19.307 1.00 1.34 C ATOM 401 C VAL A 30 8.960 -16.426 -19.198 1.00 12.54 C ATOM 402 O VAL A 30 8.392 -16.798 -18.171 1.00 13.43 O ATOM 403 CB VAL A 30 10.651 -14.883 -18.203 1.00 51.11 C ATOM 404 CG1 VAL A 30 11.198 -16.241 -17.791 1.00 3.24 C ATOM 405 CG2 VAL A 30 11.772 -13.967 -18.671 1.00 13.34 C ATOM 0 H VAL A 30 7.801 -14.209 -18.593 1.00 12.23 H new ATOM 0 HA VAL A 30 10.067 -14.939 -20.281 1.00 1.34 H new ATOM 0 HB VAL A 30 10.181 -14.428 -17.331 1.00 51.11 H new ATOM 0 HG11 VAL A 30 11.947 -16.110 -17.011 1.00 3.24 H new ATOM 0 HG12 VAL A 30 10.385 -16.861 -17.413 1.00 3.24 H new ATOM 0 HG13 VAL A 30 11.654 -16.727 -18.654 1.00 3.24 H new ATOM 0 HG21 VAL A 30 12.514 -13.866 -17.879 1.00 13.34 H new ATOM 0 HG22 VAL A 30 12.243 -14.392 -19.558 1.00 13.34 H new ATOM 0 HG23 VAL A 30 11.363 -12.986 -18.912 1.00 13.34 H new ATOM 415 N PRO A 31 9.063 -17.209 -20.281 1.00 64.23 N ATOM 416 CA PRO A 31 8.512 -18.567 -20.332 1.00 42.52 C ATOM 417 C PRO A 31 8.886 -19.390 -19.105 1.00 33.44 C ATOM 418 O PRO A 31 8.061 -20.130 -18.567 1.00 61.15 O ATOM 419 CB PRO A 31 9.150 -19.162 -21.590 1.00 2.51 C ATOM 420 CG PRO A 31 9.453 -17.986 -22.453 1.00 44.13 C ATOM 421 CD PRO A 31 9.727 -16.831 -21.540 1.00 42.41 C ATOM 0 HA PRO A 31 7.422 -18.564 -20.351 1.00 42.52 H new ATOM 0 HB2 PRO A 31 10.055 -19.720 -21.349 1.00 2.51 H new ATOM 0 HB3 PRO A 31 8.472 -19.855 -22.088 1.00 2.51 H new ATOM 0 HG2 PRO A 31 10.315 -18.187 -23.090 1.00 44.13 H new ATOM 0 HG3 PRO A 31 8.614 -17.765 -23.113 1.00 44.13 H new ATOM 0 HD2 PRO A 31 10.797 -16.680 -21.397 1.00 42.41 H new ATOM 0 HD3 PRO A 31 9.324 -15.901 -21.941 1.00 42.41 H new ATOM 429 N ARG A 32 10.133 -19.257 -18.665 1.00 71.24 N ATOM 430 CA ARG A 32 10.615 -19.990 -17.501 1.00 63.22 C ATOM 431 C ARG A 32 9.966 -19.469 -16.223 1.00 15.22 C ATOM 432 O ARG A 32 10.556 -18.671 -15.494 1.00 55.22 O ATOM 433 CB ARG A 32 12.137 -19.877 -17.395 1.00 42.03 C ATOM 434 CG ARG A 32 12.879 -20.561 -18.532 1.00 24.03 C ATOM 435 CD ARG A 32 13.563 -21.836 -18.063 1.00 1.12 C ATOM 436 NE ARG A 32 13.702 -22.811 -19.141 1.00 52.02 N ATOM 437 CZ ARG A 32 14.252 -24.010 -18.982 1.00 11.51 C ATOM 438 NH1 ARG A 32 14.712 -24.379 -17.795 1.00 0.04 N ATOM 439 NH2 ARG A 32 14.342 -24.842 -20.012 1.00 1.44 N ATOM 0 H ARG A 32 10.828 -18.648 -19.097 1.00 71.24 H new ATOM 0 HA ARG A 32 10.343 -21.038 -17.625 1.00 63.22 H new ATOM 0 HB2 ARG A 32 12.414 -18.823 -17.374 1.00 42.03 H new ATOM 0 HB3 ARG A 32 12.460 -20.311 -16.449 1.00 42.03 H new ATOM 0 HG2 ARG A 32 12.180 -20.796 -19.335 1.00 24.03 H new ATOM 0 HG3 ARG A 32 13.622 -19.879 -18.945 1.00 24.03 H new ATOM 0 HD2 ARG A 32 14.548 -21.593 -17.665 1.00 1.12 H new ATOM 0 HD3 ARG A 32 12.989 -22.276 -17.248 1.00 1.12 H new ATOM 0 HE ARG A 32 13.358 -22.558 -20.067 1.00 52.02 H new ATOM 0 HH11 ARG A 32 14.644 -23.742 -17.001 1.00 0.04 H new ATOM 0 HH12 ARG A 32 15.134 -25.300 -17.675 1.00 0.04 H new ATOM 0 HH21 ARG A 32 13.989 -24.561 -20.927 1.00 1.44 H new ATOM 0 HH22 ARG A 32 14.764 -25.762 -19.889 1.00 1.44 H new ATOM 453 N LYS A 33 8.746 -19.925 -15.957 1.00 3.24 N ATOM 454 CA LYS A 33 8.015 -19.506 -14.766 1.00 62.15 C ATOM 455 C LYS A 33 8.049 -17.989 -14.613 1.00 0.11 C ATOM 456 O LYS A 33 8.421 -17.470 -13.561 1.00 41.14 O ATOM 457 CB LYS A 33 8.606 -20.169 -13.520 1.00 45.22 C ATOM 458 CG LYS A 33 7.661 -20.182 -12.332 1.00 12.13 C ATOM 459 CD LYS A 33 8.417 -20.100 -11.016 1.00 61.13 C ATOM 460 CE LYS A 33 7.467 -19.996 -9.833 1.00 24.12 C ATOM 461 NZ LYS A 33 7.821 -20.958 -8.752 1.00 54.30 N ATOM 0 H LYS A 33 8.243 -20.585 -16.550 1.00 3.24 H new ATOM 0 HA LYS A 33 6.977 -19.819 -14.878 1.00 62.15 H new ATOM 0 HB2 LYS A 33 8.886 -21.194 -13.762 1.00 45.22 H new ATOM 0 HB3 LYS A 33 9.521 -19.647 -13.240 1.00 45.22 H new ATOM 0 HG2 LYS A 33 6.969 -19.343 -12.408 1.00 12.13 H new ATOM 0 HG3 LYS A 33 7.062 -21.093 -12.352 1.00 12.13 H new ATOM 0 HD2 LYS A 33 9.047 -20.982 -10.902 1.00 61.13 H new ATOM 0 HD3 LYS A 33 9.080 -19.235 -11.029 1.00 61.13 H new ATOM 0 HE2 LYS A 33 7.489 -18.981 -9.437 1.00 24.12 H new ATOM 0 HE3 LYS A 33 6.447 -20.185 -10.168 1.00 24.12 H new ATOM 0 HZ1 LYS A 33 7.150 -20.856 -7.964 1.00 54.30 H new ATOM 0 HZ2 LYS A 33 7.775 -21.929 -9.122 1.00 54.30 H new ATOM 0 HZ3 LYS A 33 8.785 -20.761 -8.414 1.00 54.30 H new ATOM 475 N GLY A 34 7.656 -17.283 -15.669 1.00 4.41 N ATOM 476 CA GLY A 34 7.648 -15.832 -15.630 1.00 3.14 C ATOM 477 C GLY A 34 6.444 -15.240 -16.334 1.00 50.42 C ATOM 478 O GLY A 34 6.586 -14.521 -17.323 1.00 53.54 O ATOM 0 H GLY A 34 7.343 -17.690 -16.551 1.00 4.41 H new ATOM 0 HA2 GLY A 34 7.658 -15.499 -14.592 1.00 3.14 H new ATOM 0 HA3 GLY A 34 8.559 -15.454 -16.094 1.00 3.14 H new ATOM 482 N VAL A 35 5.254 -15.543 -15.825 1.00 60.14 N ATOM 483 CA VAL A 35 4.020 -15.036 -16.413 1.00 34.23 C ATOM 484 C VAL A 35 3.788 -13.578 -16.032 1.00 20.20 C ATOM 485 O VAL A 35 3.003 -13.278 -15.134 1.00 12.01 O ATOM 486 CB VAL A 35 2.803 -15.871 -15.969 1.00 41.54 C ATOM 487 CG1 VAL A 35 2.755 -15.981 -14.453 1.00 40.31 C ATOM 488 CG2 VAL A 35 1.517 -15.264 -16.509 1.00 74.42 C ATOM 0 H VAL A 35 5.119 -16.137 -15.007 1.00 60.14 H new ATOM 0 HA VAL A 35 4.130 -15.113 -17.495 1.00 34.23 H new ATOM 0 HB VAL A 35 2.904 -16.876 -16.378 1.00 41.54 H new ATOM 0 HG11 VAL A 35 1.889 -16.574 -14.158 1.00 40.31 H new ATOM 0 HG12 VAL A 35 3.664 -16.463 -14.094 1.00 40.31 H new ATOM 0 HG13 VAL A 35 2.677 -14.985 -14.018 1.00 40.31 H new ATOM 0 HG21 VAL A 35 0.667 -15.866 -16.186 1.00 74.42 H new ATOM 0 HG22 VAL A 35 1.407 -14.248 -16.130 1.00 74.42 H new ATOM 0 HG23 VAL A 35 1.554 -15.243 -17.598 1.00 74.42 H new ATOM 498 N ASN A 36 4.477 -12.675 -16.722 1.00 63.53 N ATOM 499 CA ASN A 36 4.347 -11.247 -16.456 1.00 72.45 C ATOM 500 C ASN A 36 4.841 -10.908 -15.053 1.00 53.15 C ATOM 501 O ASN A 36 4.071 -10.458 -14.205 1.00 54.12 O ATOM 502 CB ASN A 36 2.890 -10.809 -16.617 1.00 12.35 C ATOM 503 CG ASN A 36 2.286 -11.276 -17.927 1.00 32.35 C ATOM 504 OD1 ASN A 36 3.002 -11.662 -18.850 1.00 60.44 O ATOM 505 ND2 ASN A 36 0.961 -11.243 -18.012 1.00 70.32 N ATOM 0 H ASN A 36 5.131 -12.907 -17.470 1.00 63.53 H new ATOM 0 HA ASN A 36 4.963 -10.710 -17.177 1.00 72.45 H new ATOM 0 HB2 ASN A 36 2.302 -11.203 -15.788 1.00 12.35 H new ATOM 0 HB3 ASN A 36 2.832 -9.722 -16.561 1.00 12.35 H new ATOM 0 HD21 ASN A 36 0.497 -11.546 -18.869 1.00 70.32 H new ATOM 0 HD22 ASN A 36 0.407 -10.915 -17.221 1.00 70.32 H new ATOM 512 N SER A 37 6.130 -11.126 -14.817 1.00 23.30 N ATOM 513 CA SER A 37 6.727 -10.847 -13.516 1.00 40.31 C ATOM 514 C SER A 37 6.992 -9.353 -13.350 1.00 32.43 C ATOM 515 O SER A 37 7.928 -8.808 -13.935 1.00 55.33 O ATOM 516 CB SER A 37 8.031 -11.629 -13.351 1.00 3.01 C ATOM 517 OG SER A 37 7.794 -12.900 -12.770 1.00 52.33 O ATOM 0 H SER A 37 6.782 -11.495 -15.510 1.00 23.30 H new ATOM 0 HA SER A 37 6.023 -11.162 -12.745 1.00 40.31 H new ATOM 0 HB2 SER A 37 8.509 -11.753 -14.322 1.00 3.01 H new ATOM 0 HB3 SER A 37 8.721 -11.063 -12.726 1.00 3.01 H new ATOM 0 HG SER A 37 8.643 -13.381 -12.677 1.00 52.33 H new ATOM 523 N CYS A 38 6.161 -8.698 -12.547 1.00 12.54 N ATOM 524 CA CYS A 38 6.303 -7.267 -12.302 1.00 35.43 C ATOM 525 C CYS A 38 6.868 -7.008 -10.909 1.00 4.45 C ATOM 526 O CYS A 38 6.174 -7.170 -9.905 1.00 51.21 O ATOM 527 CB CYS A 38 4.951 -6.566 -12.454 1.00 63.22 C ATOM 528 SG CYS A 38 3.893 -7.268 -13.760 1.00 52.34 S ATOM 0 H CYS A 38 5.382 -9.135 -12.054 1.00 12.54 H new ATOM 0 HA CYS A 38 6.999 -6.864 -13.038 1.00 35.43 H new ATOM 0 HB2 CYS A 38 4.419 -6.616 -11.504 1.00 63.22 H new ATOM 0 HB3 CYS A 38 5.123 -5.511 -12.668 1.00 63.22 H new ATOM 533 N ARG A 39 8.133 -6.603 -10.856 1.00 24.43 N ATOM 534 CA ARG A 39 8.793 -6.322 -9.586 1.00 41.04 C ATOM 535 C ARG A 39 9.009 -4.822 -9.407 1.00 32.14 C ATOM 536 O ARG A 39 9.081 -4.073 -10.381 1.00 74.13 O ATOM 537 CB ARG A 39 10.135 -7.054 -9.511 1.00 55.42 C ATOM 538 CG ARG A 39 10.069 -8.496 -9.984 1.00 73.54 C ATOM 539 CD ARG A 39 10.638 -9.450 -8.945 1.00 54.03 C ATOM 540 NE ARG A 39 11.942 -9.012 -8.457 1.00 3.03 N ATOM 541 CZ ARG A 39 12.721 -9.753 -7.676 1.00 42.42 C ATOM 542 NH1 ARG A 39 12.329 -10.961 -7.298 1.00 62.41 N ATOM 543 NH2 ARG A 39 13.895 -9.284 -7.273 1.00 24.54 N ATOM 0 H ARG A 39 8.721 -6.462 -11.677 1.00 24.43 H new ATOM 0 HA ARG A 39 8.148 -6.678 -8.783 1.00 41.04 H new ATOM 0 HB2 ARG A 39 10.867 -6.516 -10.114 1.00 55.42 H new ATOM 0 HB3 ARG A 39 10.493 -7.034 -8.482 1.00 55.42 H new ATOM 0 HG2 ARG A 39 9.034 -8.763 -10.197 1.00 73.54 H new ATOM 0 HG3 ARG A 39 10.623 -8.600 -10.917 1.00 73.54 H new ATOM 0 HD2 ARG A 39 9.945 -9.529 -8.107 1.00 54.03 H new ATOM 0 HD3 ARG A 39 10.729 -10.446 -9.378 1.00 54.03 H new ATOM 0 HE ARG A 39 12.273 -8.087 -8.730 1.00 3.03 H new ATOM 0 HH11 ARG A 39 11.427 -11.324 -7.607 1.00 62.41 H new ATOM 0 HH12 ARG A 39 12.929 -11.528 -6.699 1.00 62.41 H new ATOM 0 HH21 ARG A 39 14.200 -8.355 -7.563 1.00 24.54 H new ATOM 0 HH22 ARG A 39 14.493 -9.853 -6.674 1.00 24.54 H new ATOM 557 N CYS A 40 9.111 -4.390 -8.154 1.00 73.30 N ATOM 558 CA CYS A 40 9.317 -2.981 -7.845 1.00 40.41 C ATOM 559 C CYS A 40 10.777 -2.586 -8.052 1.00 75.24 C ATOM 560 O CYS A 40 11.683 -3.211 -7.502 1.00 11.30 O ATOM 561 CB CYS A 40 8.898 -2.686 -6.404 1.00 34.25 C ATOM 562 SG CYS A 40 7.137 -2.260 -6.214 1.00 34.02 S ATOM 0 H CYS A 40 9.054 -4.997 -7.336 1.00 73.30 H new ATOM 0 HA CYS A 40 8.699 -2.393 -8.524 1.00 40.41 H new ATOM 0 HB2 CYS A 40 9.119 -3.557 -5.787 1.00 34.25 H new ATOM 0 HB3 CYS A 40 9.503 -1.864 -6.022 1.00 34.25 H new ATOM 567 N MET A 41 10.995 -1.546 -8.850 1.00 10.32 N ATOM 568 CA MET A 41 12.344 -1.067 -9.129 1.00 10.04 C ATOM 569 C MET A 41 12.330 0.413 -9.498 1.00 62.11 C ATOM 570 O MET A 41 11.367 1.126 -9.213 1.00 71.43 O ATOM 571 CB MET A 41 12.973 -1.881 -10.260 1.00 64.45 C ATOM 572 CG MET A 41 14.035 -2.861 -9.787 1.00 1.32 C ATOM 573 SD MET A 41 13.579 -4.579 -10.087 1.00 53.04 S ATOM 574 CE MET A 41 14.704 -5.001 -11.416 1.00 12.24 C ATOM 0 H MET A 41 10.256 -1.019 -9.315 1.00 10.32 H new ATOM 0 HA MET A 41 12.941 -1.192 -8.226 1.00 10.04 H new ATOM 0 HB2 MET A 41 12.189 -2.431 -10.780 1.00 64.45 H new ATOM 0 HB3 MET A 41 13.417 -1.198 -10.984 1.00 64.45 H new ATOM 0 HG2 MET A 41 14.975 -2.645 -10.295 1.00 1.32 H new ATOM 0 HG3 MET A 41 14.208 -2.716 -8.721 1.00 1.32 H new ATOM 0 HE1 MET A 41 14.544 -6.037 -11.713 1.00 12.24 H new ATOM 0 HE2 MET A 41 14.522 -4.347 -12.268 1.00 12.24 H new ATOM 0 HE3 MET A 41 15.732 -4.876 -11.076 1.00 12.24 H new TER 584 MET A 41